4-(sulfamoylamino)cyclopent-2-ene-1-carboxylic acid

C6H10N2O4S — CID 114958954

IUPAC4-(sulfamoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESNS(=O)(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C6H10N2O4S/c7-13(11,12)8-5-2-1-4(3-5)6(9)10/h1-2,4-5,8H,3H2,(H,9,10)(H2,7,11,12)
InChIKeyIGFRRNWEJXGPDZ-UHFFFAOYSA-N
MW206.22 g/mol
LogP-1.19
Rot. Bonds3

About 4-(sulfamoylamino)cyclopent-2-ene-1-carboxylic acid

4-(sulfamoylamino)cyclopent-2-ene-1-carboxylic acid (PubChem CID 114958954) has the molecular formula C6H10N2O4S and a molecular weight of 206.22 g/mol. Its IUPAC name is 4-(sulfamoylamino)cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-(sulfamoylamino)cyclopent-2-ene-1-carboxylic acid
PubChem CID114958954
Molecular FormulaC6H10N2O4S
Molecular Weight206.22 g/mol
Exact Mass206.04
IUPAC Name4-(sulfamoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESNS(=O)(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C6H10N2O4S/c7-13(11,12)8-5-2-1-4(3-5)6(9)10/h1-2,4-5,8H,3H2,(H,9,10)(H2,7,11,12)
InChIKeyIGFRRNWEJXGPDZ-UHFFFAOYSA-N
XLogP-1.19
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(sulfamoylamino)cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-(sulfamoylamino)cyclopent-2-ene-1-carboxylic acid (CID 114958954) is 4-(sulfamoylamino)cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-(sulfamoylamino)cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-(sulfamoylamino)cyclopent-2-ene-1-carboxylic acid is NS(=O)(=O)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-(sulfamoylamino)cyclopent-2-ene-1-carboxylic acid?
The InChIKey is IGFRRNWEJXGPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4S/c7-13(11,12)8-5-2-1-4(3-5)6(9)10/h1-2,4-5,8H,3H2,(H,9,10)(H2,7,11,12).
What are the key properties of 4-(sulfamoylamino)cyclopent-2-ene-1-carboxylic acid?
4-(sulfamoylamino)cyclopent-2-ene-1-carboxylic acid has a molecular weight of 206.22 g/mol, XLogP of -1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(sulfamoylamino)cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 114958954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).